ACORAFLOXACIN HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 1NWW5SKQ0N
EPA CompTox DTXSID70142966

Structure

InChI Key RDXCNSOGHLLWDV-YFMOEUEHSA-N
Smiles COc1c(N2CCC/C(=C(\F)CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl
InChI
InChI=1S/C21H23F2N3O4.ClH/c1-30-20-17-13(19(27)14(21(28)29)10-26(17)12-4-5-12)7-15(22)18(20)25-6-2-3-11(9-25)16(23)8-24;/h7,10,12H,2-6,8-9,24H2,1H3,(H,28,29);1H/b16-11+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H24ClF2N3O4
Molecular Weight 455.89
AlogP 2.96
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 97.79
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 30.0

Cross References

Resources Reference
ChEMBL CHEMBL2364603
FDA SRS 1NWW5SKQ0N
PubChem 67311433
SureChEMBL SCHEMBL2190495
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